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EX8 : Summary
Code ![](/pdbe/static/images/help.png)
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EX8
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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(2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C5 H8 F N O3
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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149.12 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
O[CH]1CN[CH]([CH]1F)C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
C1C(C(C(N1)C(=O)O)F)O |
Canonical SMILES
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CACTVS |
3.385 |
O[C@H]1CN[C@@H]([C@H]1F)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C1[C@@H]([C@@H]([C@H](N1)C(=O)O)F)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C5H8FNO3/c6-3-2(8)1-7-4(3)5(9)10/h2-4,7-8H,1H2,(H,9,10)/t2-,3-,4-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | YKUGAOZPOJCILK-HZLVTQRSSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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18 (10 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2018-05-03
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Last modified at ![](/pdbe/static/images/help.png)
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2024-06-28
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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